5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C18H14N6S — CID 17437959

IUPAC5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1
InChIInChI=1S/C18H14N6S/c1-12-19-17-14-6-2-3-7-15(14)21-18(24(17)22-12)25-11-13-10-23-9-5-4-8-16(23)20-13/h2-10H,11H2,1H3
InChIKeyMMXXQLPIJCZTPV-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.53
Rot. Bonds3

About 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 17437959) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID17437959
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1
InChIInChI=1S/C18H14N6S/c1-12-19-17-14-6-2-3-7-15(14)21-18(24(17)22-12)25-11-13-10-23-9-5-4-8-16(23)20-13/h2-10H,11H2,1H3
InChIKeyMMXXQLPIJCZTPV-UHFFFAOYSA-N
XLogP3.53
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

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Related Compounds

Savolitinib
CID 68289010
Sgx-523
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Adipiplon
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8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
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5-(1h-Benzimidazol-2-Ylmethylsulfanyl)-2-Methyl-[1,2,4]triazolo[1,5-C]quinazoline
CID 50993785
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
3-(6-Quinolylmethyl)-6-[(1-methyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405875

Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 17437959) is 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1.
What is the InChIKey of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is MMXXQLPIJCZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S/c1-12-19-17-14-6-2-3-7-15(14)21-18(24(17)22-12)25-11-13-10-23-9-5-4-8-16(23)20-13/h2-10H,11H2,1H3.
What are the key properties of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 346.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 17437959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).